ChemSpider 2D Image | (2S)-2-Amino-1-hydroxy-3-(13,13,14,14,15,15,16,16,17,17,18,18,18-~2~H_13_)octadecanone | C18H24D13NO2

(2S)-2-Amino-1-hydroxy-3-(13,13,14,14,15,15,16,16,17,17,18,18,18-2H13)octadecanone

  • Molecular FormulaC18H24D13NO2
  • Average mass312.572 Da
  • Monoisotopic mass312.364014 Da
  • ChemSpider ID107445685

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S)-2-Amino-1-hydroxy-3-(13,13,14,14,15,15,16,16,17,17,18,18,18-2H13)octadecanon [German] [ACD/IUPAC Name]
(2S)-2-Amino-1-hydroxy-3-(13,13,14,14,15,15,16,16,17,17,18,18,18-2H13)octadecanone [ACD/IUPAC Name]
(2S)-2-Amino-1-hydroxy-3-(13,13,14,14,15,15,16,16,17,17,18,18,18-2H13)octadécanone [French] [ACD/IUPAC Name]
3-Octadecanone-13,13,14,14,15,15,16,16,17,17,18,18,18-d13, 2-amino-1-hydroxy-, (2S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 438.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.3±6.0 kJ/mol
Flash Point: 219.0±24.6 °C
Index of Refraction: 1.470
Molar Refractivity: 90.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 6.56
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 257.97
ACD/KOC (pH 5.5): 578.67
ACD/LogD (pH 7.4): 5.57
ACD/BCF (pH 7.4): 8701.45
ACD/KOC (pH 7.4): 19518.86
Polar Surface Area: 63 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 36.4±3.0 dyne/cm
Molar Volume: 324.3±3.0 cm3

Click to predict properties on the Chemicalize site


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